Gumus, Hp; Tamer, Ömer; Avcı, Davut; Atalay, Yusuf
(PERGAMON-ELSEVIER SCIENCE LTD, 2014)
The optimized geometry, H-1 and C-13 NMR chemical shifts, conformational and natural bond orbital (NBO) analyses, thermodynamic parameters, molecular surfaces, Mulliken, NBO and APT charges for 5-(2-Chloroethyl)-2,4-dich ...